Geometry & MOs

Info

ID:	52018
PubChem CID:	12014790
Reduced:	NOSC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	320.044248
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	4.99
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-pyridin-4-ylpyridin-1-ium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=CC1=O)S

DOS

IR

Vibrations